[1-(4-chlorophenyl)cyclobutyl](4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
[1-(4-chlorophenyl)cyclobutyl](4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
[1-(4-chlorophenyl)cyclobutyl](4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D203-0114 |
| Compound Name: | [1-(4-chlorophenyl)cyclobutyl](4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C27 H26 Cl F N6 O2 |
| Smiles: | C1CC(C1)(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2882 |
| logD: | 3.8341 |
| logSw: | -4.6364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.454 |
| InChI Key: | GIURGSQYIJFQBD-UHFFFAOYSA-N |